3TU0
Crystal structure of T355V, S354A, K288A LeuT mutant in complex with alanine and sodium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 89.331, 87.346, 81.687 |
| Unit cell angles | 90.00, 95.72, 90.00 |
Refinement procedure
| Resolution | 19.791 - 2.994 |
| R-factor | 0.2213 |
| Rwork | 0.217 |
| R-free | 0.28840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2a65 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.736 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.110 |
| High resolution limit [Å] | 2.946 | 2.946 |
| Rmerge | 0.084 | 0.517 |
| Number of reflections | 12469 | |
| <I/σ(I)> | 14.3 | 1.9 |
| Completeness [%] | 98.5 | 89.9 |
| Redundancy | 3.6 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 26-28% PEG550 MME, 100 mM HEPES, 200 mM sodium chloride, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
